Butane

Butane

SCHEMBL2218261

CCCC.c1ccc(Pc2ccccc2)cc1

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
PCSK9 Q8NBP7 1/20 0.38
PSIP1 O75475 1/20 0.35
LMNA P02545 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GLA P06280 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
ACHE P22303 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Butane SCHEMBL3883260 1.00 TP53 (0.41) TP53PCSK9PSIP1LMNACA12
Butane SCHEMBL27467536 0.97 TP53 (0.39) TP53PCSK9PSIP1LMNACA12
Butane SCHEMBL4314183 0.97 TP53 (0.39) TP53PCSK9PSIP1LMNACA12
Butane SCHEMBL28273422 0.97 TP53 (0.39) TP53PCSK9PSIP1LMNACA12
Butane SCHEMBL7978404 0.95 TP53 (0.38) TP53PCSK9PSIP1LMNACA12
Propane SCHEMBL1423596 0.91 TP53 (0.43) TP53PCSK9PSIP1LMNACA12
Propane SCHEMBL372201 0.91 TP53 (0.43) TP53PCSK9PSIP1LMNACA12
Butane SCHEMBL3685210 0.90 TP53 (0.35) TP53PCSK9PSIP1
Butane SCHEMBL3766698 0.90 TP53 (0.35) TP53PCSK9PSIP1
Butane SCHEMBL27915563 0.90 TP53 (0.35) TP53PCSK9PSIP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1032 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344258-A Organic photoconductor drum based on triarylamine derivative material, and preparation method and application thereof 中国科学院化学研究所 2024-07-16 CN claimed
CN-118307554-A E-containing double bond 11-membered ring compound and preparation method thereof 天津大学 2024-07-09 CN claimed
CN-118290261-A Esterification method of aryl fluorosulfonate and aryl formate 南京工业大学 2024-07-05 CN claimed
CN-118271215-A Method for synthesizing 2-methylthio-4-trifluoromethyl benzoic acid 江苏中旗科技股份有限公司 2024-07-02 CN claimed
CN-118271180-A Preparation method of allylamine compound 大连理工大学 2024-07-02 CN claimed
CN-118222288-A PtAg alloy nanocluster and preparation method and application thereof 安徽大学 2024-06-21 CN claimed
CN-118186417-A Electrochemical construction of C (sp)3)-C(sp3) Method for bonding and compound prepared by same 南开大学 2024-06-14 CN claimed
CN-116283515-B Direct cross coupling method of aryl fluoride and aryl bromide 南京工业大学 2024-05-28 CN claimed
CN-118084971-A Stable zero-valent rhodium chiral catalyst and preparation method and application thereof 南开大学 2024-05-28 CN claimed
CN-115141090-B Preparation method of enal 中国石油化工股份有限公司 2024-05-17 CN claimed
CN-1228078-A Catalytic preparation process of N-acylglycine derivatives AWENTIS RESEARCH & TECHNOLOGY (DE) 1999-09-08 CN claimed
CN-1224419-A Process for preparing 1-alkyl-4-(2-chloro-3-alkoxy-4-alkylsulfonylbenzoyl)-5-hydroxypyrazole and related compounds DOW AGROSCIENCES LLC (US) 1999-07-28 CN claimed
CN-1193015-A Process for preparing 2,6-pyrindine-dicarboxylate LONZA AG (CH) 1998-09-16 CN claimed
CN-1169991-A Process for preparation of arylamides of heteroaromatic carboxylic acids LONZA AG (CH) 1998-01-14 CN claimed
CN-1167748-A Process and intermediate compounds for preparing pesticidal fluoroolefin compounds AMERICAN CYANAMID CO (US) 1997-12-17 CN claimed
CN-1032351-C Process for selective preparation of alkenecarboxylic acid derivatives SHELL INT RESEARCH (NL) 1996-07-24 CN claimed
CN-1006063-B Process for preparing hydroquinone derivatives 弗·哈夫曼-拉罗切有限公司 1989-12-13 CN claimed
CN-88101605-A Process for preparing adipic diester 1988-11-23 CN claimed
CN-87107325-A Selective preparation of alkene carboxylic acid derivatives 1988-06-22 CN claimed
CN-85108407-A Hydroquinone derivative's preparation method 1986-05-10 CN claimed